Chemical Properties of Pentalene, octahydro- (CAS 694-72-4)

InChI

InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2

InChI Key

AEBWATHAIVJLTA-UHFFFAOYSA-N

Formula

C8H14

SMILES

C1CC2CCCC2C1

Molecular Weight¹

110.20

CAS

694-72-4

Other Names

• Bicyclo[3.3.0]octane
• Octahydropentalene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	113.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.17	kJ/mol	Joback Calculated Property
ΔfusH°	8.55	kJ/mol	Joback Calculated Property
ΔvapH°	33.57	kJ/mol	Joback Calculated Property
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.587		Crippen Calculated Property
McVol	101.860	ml/mol	McGowan Calculated Property
Pc	3560.02	kPa	Joback Calculated Property
Inp	[870.00; 870.00]
Inp	870.00		NIST
Inp	870.00		NIST
Tboil	404.46	K	Joback Calculated Property
Tc	614.38	K	Joback Calculated Property
Tfus	208.76	K	Joback Calculated Property
Vc	0.382	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.70; 292.95]	J/mol×K	[404.46; 614.38]
Cp,gas	198.70	J/mol×K	404.46	Joback Calculated Property
Cp,gas	217.06	J/mol×K	439.45	Joback Calculated Property
Cp,gas	234.29	J/mol×K	474.43	Joback Calculated Property
Cp,gas	250.43	J/mol×K	509.42	Joback Calculated Property
Cp,gas	265.55	J/mol×K	544.41	Joback Calculated Property
Cp,gas	279.71	J/mol×K	579.39	Joback Calculated Property
Cp,gas	292.95	J/mol×K	614.38	Joback Calculated Property
η	[0.0004754; 0.0013767]	Pa×s	[208.76; 404.46]
η	0.0013767	Pa×s	208.76	Joback Calculated Property
η	0.0010230	Pa×s	241.38	Joback Calculated Property
η	0.0008158	Pa×s	273.99	Joback Calculated Property
η	0.0006827	Pa×s	306.61	Joback Calculated Property
η	0.0005912	Pa×s	339.23	Joback Calculated Property
η	0.0005251	Pa×s	371.84	Joback Calculated Property
η	0.0004754	Pa×s	404.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentalene, octahydro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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